4-(3-chloranylpyridin-2-yl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methyl-piperazine-1-carboxamide

Systemtic Name: 4-(3-chloranylpyridin-2-yl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methyl-piperazine-1-carboxamide Openeye Name: 4-(3-chloro-2-pyridyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methyl-piperazine-1-carboxamide CAS Name: 4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-(3-chloropyridin-2-yl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide Traditional Name: 4-(3-chloro-2-pyridyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methyl-piperazine-1-carboxamide Formula: C25H24ClN5O MolecularWeight: 445.94396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)C(C3=CC=CC=C3)[N+]#[C-])C4=C(C=CC=N4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)C(C3=CC=CC=C3)[N+]#[C-])C4=C(C=CC=N4)Cl

InChI

InChI=1S/C25H24ClN5O/c1-18-17-30(24-22(26)9-6-14-28-24)15-16-31(18)25(32)29-21-12-10-20(11-13-21)23(27-2)19-7-4-3-5-8-19/h3-14,18,23H,15-17H2,1H3,(H,29,32)